cyclopropyl-[4-[2-[(4-fluorophenyl)methoxy]ethyl]piperidin-1-yl]methanone

C18H24FNO2 — CID 53037944

IUPACcyclopropyl-[4-[2-[(4-fluorophenyl)methoxy]ethyl]piperidin-1-yl]methanone
SMILESO=C(C1CC1)N1CCC(CCOCc2ccc(F)cc2)CC1
InChIInChI=1S/C18H24FNO2/c19-17-5-1-15(2-6-17)13-22-12-9-14-7-10-20(11-8-14)18(21)16-3-4-16/h1-2,5-6,14,16H,3-4,7-13H2
InChIKeyOHVAAMBOUKULOB-UHFFFAOYSA-N
MW305.39 g/mol
LogP3.38
Rot. Bonds6

About cyclopropyl-[4-[2-[(4-fluorophenyl)methoxy]ethyl]piperidin-1-yl]methanone

cyclopropyl-[4-[2-[(4-fluorophenyl)methoxy]ethyl]piperidin-1-yl]methanone (PubChem CID 53037944) has the molecular formula C18H24FNO2 and a molecular weight of 305.39 g/mol. Its IUPAC name is cyclopropyl-[4-[2-[(4-fluorophenyl)methoxy]ethyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-[2-[(4-fluorophenyl)methoxy]ethyl]piperidin-1-yl]methanone
PubChem CID53037944
Molecular FormulaC18H24FNO2
Molecular Weight305.39 g/mol
Exact Mass305.18
IUPAC Namecyclopropyl-[4-[2-[(4-fluorophenyl)methoxy]ethyl]piperidin-1-yl]methanone
SMILESO=C(C1CC1)N1CCC(CCOCc2ccc(F)cc2)CC1
InChIInChI=1S/C18H24FNO2/c19-17-5-1-15(2-6-17)13-22-12-9-14-7-10-20(11-8-14)18(21)16-3-4-16/h1-2,5-6,14,16H,3-4,7-13H2
InChIKeyOHVAAMBOUKULOB-UHFFFAOYSA-N
XLogP3.38
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.39
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-[2-[(4-fluorophenyl)methoxy]ethyl]piperidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-[2-[(4-fluorophenyl)methoxy]ethyl]piperidin-1-yl]methanone (CID 53037944) is cyclopropyl-[4-[2-[(4-fluorophenyl)methoxy]ethyl]piperidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-[2-[(4-fluorophenyl)methoxy]ethyl]piperidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-[2-[(4-fluorophenyl)methoxy]ethyl]piperidin-1-yl]methanone is O=C(C1CC1)N1CCC(CCOCc2ccc(F)cc2)CC1.
What is the InChIKey of cyclopropyl-[4-[2-[(4-fluorophenyl)methoxy]ethyl]piperidin-1-yl]methanone?
The InChIKey is OHVAAMBOUKULOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FNO2/c19-17-5-1-15(2-6-17)13-22-12-9-14-7-10-20(11-8-14)18(21)16-3-4-16/h1-2,5-6,14,16H,3-4,7-13H2.
What are the key properties of cyclopropyl-[4-[2-[(4-fluorophenyl)methoxy]ethyl]piperidin-1-yl]methanone?
cyclopropyl-[4-[2-[(4-fluorophenyl)methoxy]ethyl]piperidin-1-yl]methanone has a molecular weight of 305.39 g/mol, XLogP of 3.38, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-[2-[(4-fluorophenyl)methoxy]ethyl]piperidin-1-yl]methanone is sourced from PubChem (CID 53037944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).